Items where Author is "Frauenheim, Thomas"

Article

Knaup, J. M. and Deák, Peter and Gali, Ádám and Hajnal, Zoltán and Frauenheim, Thomas and Choyke, W. J. (2005) The Search for Near Interface Oxide Traps - First-Principles Calculations on Intrinsic SiO2 Defects. Materials Science Forum, 483-85. pp. 569-572. ISSN 0255-5476

Knaup, Jan and Deák, Peter and Frauenheim, Thomas and Gali, Ádám and Hajnal, Zoltán and Choyke, W. (2005) Theoretical study of the mechanism of dry oxidation of 4H-SiC. Physical Review B (Condensed Matter and Materials Physics), 71 (23). No. 235321. ISSN 1098-0121

Frauenheim, Thomas and Seifert, Gotthard and Elstner, Marcus and Niehaus, Thomas and Köhler, Christof and Amkreutz, Marc and Sternberg, Michael and Hajnal, Zoltán and Carlo, Aldo Di and Suhai, Sándor (2002) Atomistic simulations of complex materials: ground-state and excited-state properties. Journal of Physics: Condensed Matter, 14 (11). pp. 3015-3047. ISSN 0953-8984

Hajnal, Zoltán and Vogg, Günther and Meyer, Lex and Szűcs, Bernadett and Brandt, Martin and Frauenheim, Thomas (2001) Band structure and optical properties of germanium sheet polymers. Physical Review B, 64 (3). No. 033311. ISSN 0163-1829

Rauls, E. and Hajnal, Zoltán and Gali, Ádám and Deák, Peter and Frauenheim, Thomas (2001) Intrinsic Defect Complexes in α-SiC: the Formation of Antisite Pairs. Materials Science Forum, 353-56. pp. 435-438. ISSN 1662-9752

Köhler, Christof and Hajnal, Zoltán and Deák, Péter and Frauenheim, Thomas and Suhai, Sándor (2001) Theoretical investigation of carbon defects and diffusion in α-quartz. Physical Review B (Condensed Matter), 64 (8). No. 085333. ISSN 0163-1829

Seifert, Gotthard and Köhler, Thomas and Hajnal, Zoltán and Frauenheim, Thomas (2001) Tubular structures of germanium. Solid State Communications, 119 (12). pp. 653-657. ISSN 0038-1098

Rauls, E. and Hajnal, Zoltán and Deák, Peter and Frauenheim, Thomas (2000) (1010)– and (1120)–Surfaces in 2H–, 4H– and 6H–SiC. Materials Science Forum, 338-42. pp. 365-368. ISSN 1662-9752

Jackson, Koblar and Pederson, Mark R. and Porezag, Dirk and Hajnal, Zoltán and Frauenheim, Thomas (1997) Density-functional-based predictions of Raman and IR spectra for small Si clusters. Physical Review B (Condensed Matter), 55 (4). pp. 2549-2555. ISSN 0163-1829